4-[2-[(2-chlorobenzoyl)amino]ethyl]benzoic acid

C16H14ClNO3 — CID 43233735

IUPAC4-[2-[(2-chlorobenzoyl)amino]ethyl]benzoic acid
SMILESO=C(O)c1ccc(CCNC(=O)c2ccccc2Cl)cc1
InChIInChI=1S/C16H14ClNO3/c17-14-4-2-1-3-13(14)15(19)18-10-9-11-5-7-12(8-6-11)16(20)21/h1-8H,9-10H2,(H,18,19)(H,20,21)
InChIKeyRSTRSEHIPZZAAN-UHFFFAOYSA-N
MW303.75 g/mol
LogP3.01
Rot. Bonds5

About 4-[2-[(2-chlorobenzoyl)amino]ethyl]benzoic acid

4-[2-[(2-chlorobenzoyl)amino]ethyl]benzoic acid (PubChem CID 43233735) has the molecular formula C16H14ClNO3 and a molecular weight of 303.75 g/mol. Its IUPAC name is 4-[2-[(2-chlorobenzoyl)amino]ethyl]benzoic acid.

Molecular Properties

Compound Name4-[2-[(2-chlorobenzoyl)amino]ethyl]benzoic acid
PubChem CID43233735
Molecular FormulaC16H14ClNO3
Molecular Weight303.75 g/mol
Exact Mass303.07
IUPAC Name4-[2-[(2-chlorobenzoyl)amino]ethyl]benzoic acid
SMILESO=C(O)c1ccc(CCNC(=O)c2ccccc2Cl)cc1
InChIInChI=1S/C16H14ClNO3/c17-14-4-2-1-3-13(14)15(19)18-10-9-11-5-7-12(8-6-11)16(20)21/h1-8H,9-10H2,(H,18,19)(H,20,21)
InChIKeyRSTRSEHIPZZAAN-UHFFFAOYSA-N
XLogP3.01
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.75
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2-[(2-chlorobenzoyl)amino]ethyl]benzenesulfonyl chloride
CID 154116463
2-chloro-N-[2-(3-chlorophenyl)ethyl]benzamide
CID 873795
N-[2-(4-chlorophenyl)ethyl]-2-fluorobenzamide
CID 673830
1-N,4-N-bis(2-phenylethyl)benzene-1,4-dicarboxamide
CID 984633
4-[2-[[5-chloro-2-(methylamino)benzoyl]amino]ethyl]benzoic acid
CID 70534274
4-[2-[(2,3-dimethoxybenzoyl)amino]ethyl]benzoic acid
CID 45347542
2,3-dichloro-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide
CID 26594295
4-[2-[[5-chloro-2-(dimethylamino)benzoyl]amino]ethyl]benzoic acid
CID 10569641
2-chloro-N-[2-[[N'-methyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]carbamimidoyl]amino]ethyl]benzamide;hydroiodide
CID 111295818
4-[2-[(4-methylthiophene-3-carbonyl)amino]ethyl]benzoic acid
CID 79802947
4-[2-[(2,5-difluorobenzoyl)amino]ethyl]benzoic acid
CID 71894222
4-[2-[[5-chloro-2-(ethylamino)benzoyl]amino]ethyl]benzoic acid
CID 70530914

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(2-chlorobenzoyl)amino]ethyl]benzoic acid?
The IUPAC name of 4-[2-[(2-chlorobenzoyl)amino]ethyl]benzoic acid (CID 43233735) is 4-[2-[(2-chlorobenzoyl)amino]ethyl]benzoic acid.
What is the SMILES notation for 4-[2-[(2-chlorobenzoyl)amino]ethyl]benzoic acid?
The canonical SMILES for 4-[2-[(2-chlorobenzoyl)amino]ethyl]benzoic acid is O=C(O)c1ccc(CCNC(=O)c2ccccc2Cl)cc1.
What is the InChIKey of 4-[2-[(2-chlorobenzoyl)amino]ethyl]benzoic acid?
The InChIKey is RSTRSEHIPZZAAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO3/c17-14-4-2-1-3-13(14)15(19)18-10-9-11-5-7-12(8-6-11)16(20)21/h1-8H,9-10H2,(H,18,19)(H,20,21).
What are the key properties of 4-[2-[(2-chlorobenzoyl)amino]ethyl]benzoic acid?
4-[2-[(2-chlorobenzoyl)amino]ethyl]benzoic acid has a molecular weight of 303.75 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(2-chlorobenzoyl)amino]ethyl]benzoic acid is sourced from PubChem (CID 43233735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).